Basic information
- Standard SMILES
COc1cc(C(O)CN2CCN(CC(O)c3ccc4c(c3C)COC4=O)CC2)c(C)cc1C#N- InChIKey
RKZCJRUVWRTKGD-UHFFFAOYSA-N- Molecular formula
- C26H31N3O5
- Average molar mass
- 465.5 g/mol
Names & identifiers
- Preferred name
- 4-(1-Hydroxy-2-{4-[2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl]piperazin-1-yl}ethyl)-5-methyl-2-(methyloxy)benzonitrile
- IUPAC
- 4-[1-hydroxy-2-[4-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-2-methoxy-5-methylbenzonitrile
Names & synonyms
SCHEMBL2891316RKZCJRUVWRTKGD-UHFFFAOYSA-N4-(1-hydroxy-2-{4-[2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl]piperazin-1-yl}ethyl)-5-methyl-2-(methyloxy)benzonitrile
Database identifiers
- PubChem CID
- 49800752
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 748
Related reactions
2 records
Compound notes
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